1-[(3-ethoxy-4-methoxy-phenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C23H29NO4/c1-4-28-21-15-19(8-9-20(21)27-3)22(18-7-5-6-16(2)14-18)24-12-10-17(11-13-24)23(25)26/h5-9,14-15,17,22H,4,10-13H2,1-3H3,(H,25,26)